2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole

C21H40N2 — CID 5369150

IUPAC2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCC1=NCCN1C
InChIInChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyWGJIGGRAVBCSKR-KHPPLWFESA-N
MW320.56 g/mol
LogP6.37
Rot. Bonds15

About 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole

2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 5369150) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole
PubChem CID5369150
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCC1=NCCN1C
InChIInChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyWGJIGGRAVBCSKR-KHPPLWFESA-N
XLogP6.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine
CID 107490
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
1H-Imidazole-1-ethanamine, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 117624
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
CID 66582392
1,1'-(1,2-Ethanediyl)bis[2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazole]
CID 107406
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
Heptadecenylimidazoline
CID 6435860

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole (CID 5369150) is 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole is CCCCCCCC/C=C\CCCCCCCC1=NCCN1C.
What is the InChIKey of 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is WGJIGGRAVBCSKR-KHPPLWFESA-N. The full InChI is InChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23(21)2/h10-11H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole?
2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 320.56 g/mol, XLogP of 6.37, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 5369150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).